SCHEMBL23928550

SCHEMBL23928550

CS(=O)(=O)c1ccc(-c2nn(-c3ccc(C#N)cc3)cc2C(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.54
CA9 Q16790 8/20 0.54
KDM5B Q9UGL1 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
AURKA O14965 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23928505 0.91 MEN1 (0.49) CA12CA9NR1H4MEN1KMT2A
SCHEMBL23928699 0.90 CA12 (0.58) CA12CA9KDM5BCA1CA2
SCHEMBL22095213 0.88 AURKA (0.61) CA12CA9KDM5BMEN1KMT2A
SCHEMBL23928508 0.86 MEN1 (0.52) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL23928485 0.85 AURKA (0.56) CA12CA9NR1H4MEN1KMT2A
SCHEMBL23928651 0.84 CA12 (0.52) CA12CA9CA1CA2MEN1
SCHEMBL23928562 0.84 MEN1 (0.55) CA12CA9NR1H4MEN1KMT2A
SCHEMBL23928656 0.82 MEN1 (0.53) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL23928500 0.81 CA12 (0.73) CA12CA9CA1CA2ALDH1A1
SCHEMBL23928637 0.80 CA12 (0.62) CA12CA9CA1CA2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885KDM5B 363/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885KDM5B 363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.